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0README
@@ -5,7 +5,7 @@
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This directory contains a full distribution of the Tinker Molecular
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Modeling package. Source code, extra utility programs and scripts,
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- examples, test and benchmark cases are provided. Interfaces to many
+ examples, tests and benchmark cases are provided. Interfaces to many
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external packages such as Force Field Explorer (FFE), Tinker-OpenMM,
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APBS, and CHARMM via MSCALE are also available.
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source/baoab.f
@@ -450,7 +450,7 @@ subroutine oprep (dt,vfric,vrand)
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end do
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end if
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c
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-c get the frictional and random terms for a BAOAB step
+c get the frictional and random terms for the next step
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egdt = exp(-friction*dt)
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do i = 1, nuse
source/ielscf.f
@@ -13,7 +13,7 @@
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c nfree_aux total degrees of freedom for auxiliary dipoles
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-c tautemp_aux time constant for auliliary Berendsen thermostat
+c tautemp_aux time constant for auxiliary Berendsen thermostat
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c kelvin_aux target system temperature for auxiliary dipoles
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c uaux auxiliary induced dipole value at each site
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c upaux auxiliary shadow induced dipoles at each site
source/inertia.f
@@ -22,9 +22,9 @@
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c literature reference:
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-c Herbert Goldstein, "Classical Mechanics, 2nd Edition",
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-c Addison-Wesley, Reading, MA, 1980; see the Euler angle
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-c xyz convention in Appendix B
+c H. Goldstein, C. Poole and J. Safko, "Classical Mechanics,
+c 3rd Edition", Addison-Wesley, Boston, MA, 2001; see the Euler
+c angle xyz convention in Appendix A
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subroutine inertia (mode)
source/orient.f
@@ -108,9 +108,9 @@ subroutine orient
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subroutine xyzrigid
@@ -356,9 +356,9 @@ subroutine roteuler (a,phi,theta,psi)
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subroutine rigidxyz
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